2-(3-bromophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]acetamide

C18H19BrN2O2 — CID 112996725

IUPAC2-(3-bromophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]acetamide
SMILESCc1cccc(NC(=O)CNC(=O)Cc2cccc(Br)c2)c1C
InChIInChI=1S/C18H19BrN2O2/c1-12-5-3-8-16(13(12)2)21-18(23)11-20-17(22)10-14-6-4-7-15(19)9-14/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyOMJVGKYNUSXNHF-UHFFFAOYSA-N
MW375.27 g/mol
LogP3.36
Rot. Bonds5

About 2-(3-bromophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]acetamide

2-(3-bromophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]acetamide (PubChem CID 112996725) has the molecular formula C18H19BrN2O2 and a molecular weight of 375.27 g/mol. Its IUPAC name is 2-(3-bromophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(3-bromophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]acetamide
PubChem CID112996725
Molecular FormulaC18H19BrN2O2
Molecular Weight375.27 g/mol
Exact Mass374.06
IUPAC Name2-(3-bromophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]acetamide
SMILESCc1cccc(NC(=O)CNC(=O)Cc2cccc(Br)c2)c1C
InChIInChI=1S/C18H19BrN2O2/c1-12-5-3-8-16(13(12)2)21-18(23)11-20-17(22)10-14-6-4-7-15(19)9-14/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyOMJVGKYNUSXNHF-UHFFFAOYSA-N
XLogP3.36
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.27
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]acetamide
CID 112996471
2-(3-bromophenyl)-N-[2-(2-fluoroanilino)-2-oxoethyl]acetamide
CID 112997653
2-(3-bromophenyl)-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]acetamide
CID 112997253
2-[(2-bromoacetyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 55246569
2-(3-bromophenyl)-N-[2-(2,4-difluoroanilino)-2-oxoethyl]acetamide
CID 113000854
2-(3-bromophenyl)-N-[2-(3-chloro-4-methylanilino)-2-oxoethyl]acetamide
CID 112998184
2-(3-bromophenyl)-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide
CID 113002377
N-(2,3-dimethylphenyl)-2-(3,4-dimethylphenyl)acetamide
CID 2599603
methyl 2-[[2-(3-bromophenyl)acetyl]amino]acetate
CID 55207927
(4-bromophenyl)methyl-[2-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]-methylazanium
CID 9039937
N-[2-(2-methylanilino)-2-oxoethyl]-2-phenylacetamide
CID 2224642
N-(2-amino-4,5-dimethylphenyl)-2-(3-bromophenyl)acetamide
CID 62097923

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]acetamide?
The IUPAC name of 2-(3-bromophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]acetamide (CID 112996725) is 2-(3-bromophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(3-bromophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-(3-bromophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]acetamide is Cc1cccc(NC(=O)CNC(=O)Cc2cccc(Br)c2)c1C.
What is the InChIKey of 2-(3-bromophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]acetamide?
The InChIKey is OMJVGKYNUSXNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2/c1-12-5-3-8-16(13(12)2)21-18(23)11-20-17(22)10-14-6-4-7-15(19)9-14/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 2-(3-bromophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]acetamide?
2-(3-bromophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]acetamide has a molecular weight of 375.27 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-N-[2-(2,3-dimethylanilino)-2-oxoethyl]acetamide is sourced from PubChem (CID 112996725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).